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Compound Detail

CHEMBL5208674

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C[C@]1(N)CCN(c2c(-c3cccc(C#N)c3)cncc2-c2nc3c(F)cccc3[nH]2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5208674
Phase Preclinical
Structure Type MOL
InChI Key RWKREBASWIVRFR-DEOSSOPVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.23
ALogP
5
HBA
2
HBD
94.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21FN6
MW 412.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.91

Activity Summary

EC50 2 meas. best 10.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 5
CHEMBL1792
 EC50 10.33 10.315 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 5 EC50 = 0.047 nM 10.33 Agonist activity at human SST5 expressed in CHO-K1 cells assessed as reduction i... 35605837
Somatostatin receptor type 5 EC50 = 0.05012 nM 10.3 Agonist activity at human SST5 expressed in CHO-K1 cells assessed as reduction i... 35605837

Literature References

PubMed DOI Target Context # Activities
35605837 10.1016/j.bmcl.2022.128807 Somatostatin receptor type 5 2

Data from ChEMBL 36 via Core Engine